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Home > Fluorides > 1443336-86-4
1443336-86-4 | 3'--n-Butoxy-4'-methyl-2,2,2-trifluoroacetophenone
CAS No: 1443336-86-4 Catalog No: AG01F92S MDL No:
Product Description
Catalog Number:
AG01F92S
Chemical Name:
3'--n-Butoxy-4'-methyl-2,2,2-trifluoroacetophenone
CAS Number:
1443336-86-4
Molecular Formula:
C13H15F3O2
Molecular Weight:
260.2522
IUPAC Name:
1-(3-butoxy-4-methylphenyl)-2,2,2-trifluoroethanone
InChI:
InChI=1S/C13H15F3O2/c1-3-4-7-18-11-8-10(6-5-9(11)2)12(17)13(14,15)16/h5-6,8H,3-4,7H2,1-2H3
InChI Key:
DARQIDQQMAPGAW-UHFFFAOYSA-N
SMILES:
CCCCOc1cc(ccc1C)C(=O)C(F)(F)F
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.102g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.256g/mol
Monoisotopic Mass:
260.102g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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